(R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol

C16H20OS — CID 134954963

IUPAC(R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol
SMILESC=C1Sc2ccccc2[C@H]1[C@H](O)C1CCCCC1
InChIInChI=1S/C16H20OS/c1-11-15(13-9-5-6-10-14(13)18-11)16(17)12-7-3-2-4-8-12/h5-6,9-10,12,15-17H,1-4,7-8H2/t15-,16+/m0/s1
InChIKeyJCBXWWURFBGZEF-JKSUJKDBSA-N
MW260.40 g/mol
LogP4.33
Rot. Bonds2

About (R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol

(R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol (PubChem CID 134954963) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is (R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol.

Molecular Properties

Compound Name(R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol
PubChem CID134954963
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name(R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol
SMILESC=C1Sc2ccccc2[C@H]1[C@H](O)C1CCCCC1
InChIInChI=1S/C16H20OS/c1-11-15(13-9-5-6-10-14(13)18-11)16(17)12-7-3-2-4-8-12/h5-6,9-10,12,15-17H,1-4,7-8H2/t15-,16+/m0/s1
InChIKeyJCBXWWURFBGZEF-JKSUJKDBSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol?
The IUPAC name of (R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol (CID 134954963) is (R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol.
What is the SMILES notation for (R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol?
The canonical SMILES for (R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol is C=C1Sc2ccccc2[C@H]1[C@H](O)C1CCCCC1.
What is the InChIKey of (R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol?
The InChIKey is JCBXWWURFBGZEF-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H20OS/c1-11-15(13-9-5-6-10-14(13)18-11)16(17)12-7-3-2-4-8-12/h5-6,9-10,12,15-17H,1-4,7-8H2/t15-,16+/m0/s1.
What are the key properties of (R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol?
(R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol has a molecular weight of 260.40 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol is sourced from PubChem (CID 134954963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).